1-(5-iodothiophen-3-yl)-N-propylhexan-1-amine

C13H22INS — CID 115837319

IUPAC1-(5-iodothiophen-3-yl)-N-propylhexan-1-amine
SMILESCCCCCC(NCCC)c1csc(I)c1
InChIInChI=1S/C13H22INS/c1-3-5-6-7-12(15-8-4-2)11-9-13(14)16-10-11/h9-10,12,15H,3-8H2,1-2H3
InChIKeyFUDGCIROWRQRER-UHFFFAOYSA-N
MW351.30 g/mol
LogP4.97
Rot. Bonds8

About 1-(5-iodothiophen-3-yl)-N-propylhexan-1-amine

1-(5-iodothiophen-3-yl)-N-propylhexan-1-amine (PubChem CID 115837319) has the molecular formula C13H22INS and a molecular weight of 351.30 g/mol. Its IUPAC name is 1-(5-iodothiophen-3-yl)-N-propylhexan-1-amine.

Molecular Properties

Compound Name1-(5-iodothiophen-3-yl)-N-propylhexan-1-amine
PubChem CID115837319
Molecular FormulaC13H22INS
Molecular Weight351.30 g/mol
Exact Mass351.05
IUPAC Name1-(5-iodothiophen-3-yl)-N-propylhexan-1-amine
SMILESCCCCCC(NCCC)c1csc(I)c1
InChIInChI=1S/C13H22INS/c1-3-5-6-7-12(15-8-4-2)11-9-13(14)16-10-11/h9-10,12,15H,3-8H2,1-2H3
InChIKeyFUDGCIROWRQRER-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.30
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromothiophen-3-yl)-N-propyldecan-1-amine
CID 105124423
1-(5-iodothiophen-3-yl)-N-propylpent-4-yn-1-amine
CID 115859344
N-[1-(5-iodothiophen-3-yl)-2-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
CID 115828885
N-ethyl-1-(5-iodothiophen-3-yl)-5-methylhexan-1-amine
CID 105028853
1-(5-bromothiophen-3-yl)-N-ethylhexan-1-amine
CID 105129603
1-(3,5-dimethylphenyl)-N-propyloctan-1-amine
CID 115796817
N-propyl-1-thiophen-3-yloctan-1-amine
CID 63412772
1-(5-iodothiophen-3-yl)-2-methyl-N-propylprop-2-en-1-amine
CID 105005326
1-(3-chloro-4-iodophenyl)-N-propylnonan-1-amine
CID 103214904
N-[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-iodothiophen-3-yl)ethyl]propan-1-amine
CID 105002687
N-[2-(2-chloro-5-fluorophenyl)-1-(5-iodothiophen-3-yl)ethyl]propan-1-amine
CID 102622498
[3-ethyl-1-(5-iodothiophen-3-yl)heptyl]hydrazine
CID 105288394

Frequently Asked Questions

What is the IUPAC name of 1-(5-iodothiophen-3-yl)-N-propylhexan-1-amine?
The IUPAC name of 1-(5-iodothiophen-3-yl)-N-propylhexan-1-amine (CID 115837319) is 1-(5-iodothiophen-3-yl)-N-propylhexan-1-amine.
What is the SMILES notation for 1-(5-iodothiophen-3-yl)-N-propylhexan-1-amine?
The canonical SMILES for 1-(5-iodothiophen-3-yl)-N-propylhexan-1-amine is CCCCCC(NCCC)c1csc(I)c1.
What is the InChIKey of 1-(5-iodothiophen-3-yl)-N-propylhexan-1-amine?
The InChIKey is FUDGCIROWRQRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22INS/c1-3-5-6-7-12(15-8-4-2)11-9-13(14)16-10-11/h9-10,12,15H,3-8H2,1-2H3.
What are the key properties of 1-(5-iodothiophen-3-yl)-N-propylhexan-1-amine?
1-(5-iodothiophen-3-yl)-N-propylhexan-1-amine has a molecular weight of 351.30 g/mol, XLogP of 4.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-iodothiophen-3-yl)-N-propylhexan-1-amine is sourced from PubChem (CID 115837319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).